1,4-difluoro-2-[2-(4-methylphenoxy)ethoxymethyl]benzene

C16H16F2O2 — CID 58376810

IUPAC1,4-difluoro-2-[2-(4-methylphenoxy)ethoxymethyl]benzene
SMILESCc1ccc(OCCOCc2cc(F)ccc2F)cc1
InChIInChI=1S/C16H16F2O2/c1-12-2-5-15(6-3-12)20-9-8-19-11-13-10-14(17)4-7-16(13)18/h2-7,10H,8-9,11H2,1H3
InChIKeyHNRMZFNTAGJJEX-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.87
Rot. Bonds6

About 1,4-difluoro-2-[2-(4-methylphenoxy)ethoxymethyl]benzene

1,4-difluoro-2-[2-(4-methylphenoxy)ethoxymethyl]benzene (PubChem CID 58376810) has the molecular formula C16H16F2O2 and a molecular weight of 278.30 g/mol. Its IUPAC name is 1,4-difluoro-2-[2-(4-methylphenoxy)ethoxymethyl]benzene.

Molecular Properties

Compound Name1,4-difluoro-2-[2-(4-methylphenoxy)ethoxymethyl]benzene
PubChem CID58376810
Molecular FormulaC16H16F2O2
Molecular Weight278.30 g/mol
Exact Mass278.11
IUPAC Name1,4-difluoro-2-[2-(4-methylphenoxy)ethoxymethyl]benzene
SMILESCc1ccc(OCCOCc2cc(F)ccc2F)cc1
InChIInChI=1S/C16H16F2O2/c1-12-2-5-15(6-3-12)20-9-8-19-11-13-10-14(17)4-7-16(13)18/h2-7,10H,8-9,11H2,1H3
InChIKeyHNRMZFNTAGJJEX-UHFFFAOYSA-N
XLogP3.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2,5-difluorophenyl)methoxy]-N-methylethanamine
CID 62335881
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 71104188
2-[4-[(2,5-difluorophenyl)methoxy]butoxy]-5-ethoxyaniline
CID 25004056
(1S)-1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethanol
CID 78930848
2-[4-[(2,5-difluorophenyl)methoxy]butoxy]-5-(2-methylsulfanylethoxy)aniline
CID 25005073
1-(2-ethyl-5-fluorophenyl)-4-(4-methylphenoxy)butan-2-one
CID 161319031
potassium [4-[(2,5-difluorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 63678052
1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene
CID 58462382
1-[(2,5-difluorophenyl)methoxy]-2-methylpropan-2-amine
CID 64537606
[4-[(2,5-difluorophenyl)methoxy]-2-methylphenyl]-trifluoroboranuide
CID 113347343
2-[2-(4-fluorophenoxy)ethoxy]ethanamine
CID 28749658

Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2-[2-(4-methylphenoxy)ethoxymethyl]benzene?
The IUPAC name of 1,4-difluoro-2-[2-(4-methylphenoxy)ethoxymethyl]benzene (CID 58376810) is 1,4-difluoro-2-[2-(4-methylphenoxy)ethoxymethyl]benzene.
What is the SMILES notation for 1,4-difluoro-2-[2-(4-methylphenoxy)ethoxymethyl]benzene?
The canonical SMILES for 1,4-difluoro-2-[2-(4-methylphenoxy)ethoxymethyl]benzene is Cc1ccc(OCCOCc2cc(F)ccc2F)cc1.
What is the InChIKey of 1,4-difluoro-2-[2-(4-methylphenoxy)ethoxymethyl]benzene?
The InChIKey is HNRMZFNTAGJJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O2/c1-12-2-5-15(6-3-12)20-9-8-19-11-13-10-14(17)4-7-16(13)18/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 1,4-difluoro-2-[2-(4-methylphenoxy)ethoxymethyl]benzene?
1,4-difluoro-2-[2-(4-methylphenoxy)ethoxymethyl]benzene has a molecular weight of 278.30 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-2-[2-(4-methylphenoxy)ethoxymethyl]benzene is sourced from PubChem (CID 58376810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).